[4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridazin-3-yl]phenyl]-piperidin-1-ylmethanamine

C24H34N6 — CID 174692584

IUPAC[4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridazin-3-yl]phenyl]-piperidin-1-ylmethanamine
SMILESNC(c1ccc(-c2ccc(N3CCN(CC4CC4)CC3)nn2)cc1)N1CCCCC1
InChIInChI=1S/C24H34N6/c25-24(30-12-2-1-3-13-30)21-8-6-20(7-9-21)22-10-11-23(27-26-22)29-16-14-28(15-17-29)18-19-4-5-19/h6-11,19,24H,1-5,12-18,25H2
InChIKeyMCQWMKDMEDLHIP-UHFFFAOYSA-N
MW406.58 g/mol
LogP3.12
Rot. Bonds6

About [4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridazin-3-yl]phenyl]-piperidin-1-ylmethanamine

[4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridazin-3-yl]phenyl]-piperidin-1-ylmethanamine (PubChem CID 174692584) has the molecular formula C24H34N6 and a molecular weight of 406.58 g/mol. Its IUPAC name is [4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridazin-3-yl]phenyl]-piperidin-1-ylmethanamine.

Molecular Properties

Compound Name[4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridazin-3-yl]phenyl]-piperidin-1-ylmethanamine
PubChem CID174692584
Molecular FormulaC24H34N6
Molecular Weight406.58 g/mol
Exact Mass406.28
IUPAC Name[4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridazin-3-yl]phenyl]-piperidin-1-ylmethanamine
SMILESNC(c1ccc(-c2ccc(N3CCN(CC4CC4)CC3)nn2)cc1)N1CCCCC1
InChIInChI=1S/C24H34N6/c25-24(30-12-2-1-3-13-30)21-8-6-20(7-9-21)22-10-11-23(27-26-22)29-16-14-28(15-17-29)18-19-4-5-19/h6-11,19,24H,1-5,12-18,25H2
InChIKeyMCQWMKDMEDLHIP-UHFFFAOYSA-N
XLogP3.12
TPSA61.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.58
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridazin-3-yl]phenyl]-piperidin-1-ylmethanamine with MolForge

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Related Compounds

4-(6-piperidin-1-ylpyridazin-3-yl)aniline
CID 51711955
3-(4-methylpiperazin-1-yl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine
CID 74237145
3-[4-(piperidin-1-ylmethyl)phenyl]-6-(4-propan-2-ylpiperazin-1-yl)pyridazine
CID 58006735
1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-amine
CID 56770269
3-(3,4-dichlorophenyl)-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]pyridazine
CID 59442760
3-(3-chlorophenyl)-6-[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]pyridazine
CID 59442820
3-methyl-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyridazine
CID 171069967
3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine
CID 101436801
1-[6-(4-fluorophenyl)pyridazin-3-yl]-4-propyl-1,4-diazepane
CID 133314322
6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridine-3-carbothioamide
CID 61443099
5-propan-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 143718986
3-(4-fluorophenyl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridazine
CID 133412730

Frequently Asked Questions

What is the IUPAC name of [4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridazin-3-yl]phenyl]-piperidin-1-ylmethanamine?
The IUPAC name of [4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridazin-3-yl]phenyl]-piperidin-1-ylmethanamine (CID 174692584) is [4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridazin-3-yl]phenyl]-piperidin-1-ylmethanamine.
What is the SMILES notation for [4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridazin-3-yl]phenyl]-piperidin-1-ylmethanamine?
The canonical SMILES for [4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridazin-3-yl]phenyl]-piperidin-1-ylmethanamine is NC(c1ccc(-c2ccc(N3CCN(CC4CC4)CC3)nn2)cc1)N1CCCCC1.
What is the InChIKey of [4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridazin-3-yl]phenyl]-piperidin-1-ylmethanamine?
The InChIKey is MCQWMKDMEDLHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6/c25-24(30-12-2-1-3-13-30)21-8-6-20(7-9-21)22-10-11-23(27-26-22)29-16-14-28(15-17-29)18-19-4-5-19/h6-11,19,24H,1-5,12-18,25H2.
What are the key properties of [4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridazin-3-yl]phenyl]-piperidin-1-ylmethanamine?
[4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridazin-3-yl]phenyl]-piperidin-1-ylmethanamine has a molecular weight of 406.58 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridazin-3-yl]phenyl]-piperidin-1-ylmethanamine is sourced from PubChem (CID 174692584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).